About [2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(5-methyl-2-prop-2-enoxy-3-trimethylsilylphenyl)silane
[2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(5-methyl-2-prop-2-enoxy-3-trimethylsilylphenyl)silane (PubChem CID 67206606) has the molecular formula C48H58OSi2
and a molecular weight of 707.16 g/mol. Its IUPAC name is [2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(5-methyl-2-prop-2-enoxy-3-trimethylsilylphenyl)silane.
Molecular Properties
| Compound Name | [2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(5-methyl-2-prop-2-enoxy-3-trimethylsilylphenyl)silane |
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| PubChem CID | 67206606 |
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| Molecular Formula | C48H58OSi2 |
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| Molecular Weight | 707.16 g/mol |
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| Exact Mass | 706.40 |
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| IUPAC Name | [2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(5-methyl-2-prop-2-enoxy-3-trimethylsilylphenyl)silane |
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| SMILES | C=CCOc1c([Si](C)(C)C)cc(C)cc1[Si](C)(C)C1c2cc(-c3ccc(C(C)CC)cc3)ccc2-c2ccc(-c3ccc(C(C)CC)cc3)cc21 |
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| InChI | InChI=1S/C48H58OSi2/c1-12-27-49-47-45(50(7,8)9)28-32(4)29-46(47)51(10,11)48-43-30-39(37-19-15-35(16-20-37)33(5)13-2)23-25-41(43)42-26-24-40(31-44(42)48)38-21-17-36(18-22-38)34(6)14-3/h12,15-26,28-31,33-34,48H,1,13-14,27H2,2-11H3 |
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| InChIKey | XRVRDRKJYZSFFS-UHFFFAOYSA-N |
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| XLogP | 12.73 |
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| TPSA | 9.23 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 51 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 707.16 |
| LogP ≤ 5 | 12.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(5-methyl-2-prop-2-enoxy-3-trimethylsilylphenyl)silane?
The IUPAC name of [2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(5-methyl-2-prop-2-enoxy-3-trimethylsilylphenyl)silane (CID 67206606) is [2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(5-methyl-2-prop-2-enoxy-3-trimethylsilylphenyl)silane.
What is the SMILES notation for [2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(5-methyl-2-prop-2-enoxy-3-trimethylsilylphenyl)silane?
The canonical SMILES for [2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(5-methyl-2-prop-2-enoxy-3-trimethylsilylphenyl)silane is C=CCOc1c([Si](C)(C)C)cc(C)cc1[Si](C)(C)C1c2cc(-c3ccc(C(C)CC)cc3)ccc2-c2ccc(-c3ccc(C(C)CC)cc3)cc21.
What is the InChIKey of [2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(5-methyl-2-prop-2-enoxy-3-trimethylsilylphenyl)silane?
The InChIKey is XRVRDRKJYZSFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H58OSi2/c1-12-27-49-47-45(50(7,8)9)28-32(4)29-46(47)51(10,11)48-43-30-39(37-19-15-35(16-20-37)33(5)13-2)23-25-41(43)42-26-24-40(31-44(42)48)38-21-17-36(18-22-38)34(6)14-3/h12,15-26,28-31,33-34,48H,1,13-14,27H2,2-11H3.
What are the key properties of [2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(5-methyl-2-prop-2-enoxy-3-trimethylsilylphenyl)silane?
[2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(5-methyl-2-prop-2-enoxy-3-trimethylsilylphenyl)silane has a molecular weight of 707.16 g/mol, XLogP of 12.73, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,7-bis(4-butan-2-ylphenyl)-9H-fluoren-9-yl]-dimethyl-(5-methyl-2-prop-2-enoxy-3-trimethylsilylphenyl)silane is sourced from PubChem (CID 67206606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).